⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1332586 | 0.80 | — | — | |
| SCHEMBL1331997 | 0.80 | — | — | |
| SCHEMBL1334173 | 0.62 | — | — | |
| SCHEMBL3542869 | 0.61 | — | — | |
| SCHEMBL21724747 | 0.60 | CYP11B2 (0.37) | — | |
| SCHEMBL8165884 | 0.59 | — | — | |
| SCHEMBL28048386 | 0.58 | CYP2C19 (0.37) | — | |
| SCHEMBL5534390 | 0.58 | KDM5A (0.31) | — | |
| SCHEMBL28310702 | 0.58 | HTR2C (0.53) | — | |
| SCHEMBL780217 | 0.57 | SLC18A3 (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110281885-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2011-11-17 | — | — | US | disclosed |
| US-7799786-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2010-09-21 | — | — | US | disclosed |
| US-20080153835-A1 | Therapeutic agents useful for treating pain | EURO-CELTIQUE S.A. | 2008-06-26 | — | — | US | disclosed |
| EP-1556354-B1 | THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN | EURO CELTIQUE SA (LU) | 2008-01-23 | — | — | EP | disclosed |
| US-7279493-B2 | cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell | EURO-CELTIQUE S.A. | 2007-10-09 | — | — | US | disclosed |